Polycyclic aromatic compounds,
Journal Year:
2024,
Volume and Issue:
unknown, P. 1 - 24
Published: Dec. 19, 2024
This
work
describes
the
synthesis
of
spiro
derivative
compounds
in
presence
nonmetallic
catalysts
and
ultrasonic
irradiation.
These
synthesized
derivatives
constitute
an
important
class
organic
display
promising
variety
bioactive
properties.
The
spirooxindole,
spiro[pyrazolo-4,3'-indoline]-2',5,10(1H,11H)-trione,
spiro[acridine-7,3'-indoline]-2',8,13(14H)-trione
were
performed
by
reaction
isatin
with
aromatic
amines,
1,3-dicarbonyl
under
irradiation
conditions
organocatalysts
(Thiamin
hydrochloride
(Vit
B1)
or
(±)-Camphor-10-sulfonic
acid
((±)CSA))
phase
transfer
catalysts.
procedure
provided
short
times,
high
yields,
green
media
a
simple
working
process.
Then
DNA
cleavage
antioxidant
activities
studied.
Synthesized
also
scrutinized
using
DFT-B3LYP
basis
set.
Additionally,
comprehensive
investigation
into
ADME
(Absorption,
Distribution,
Metabolism,
Excretion)
properties
these
was
conducted.
International Journal of Molecular Sciences,
Journal Year:
2023,
Volume and Issue:
24(16), P. 12724 - 12724
Published: Aug. 12, 2023
Pyrazole
derivatives,
as
a
class
of
heterocyclic
compounds,
possess
unique
chemical
structures
that
confer
them
with
broad
spectrum
pharmacological
activities.
They
have
been
extensively
explored
for
designing
potent
and
selective
anticancer
agents.
In
recent
years,
numerous
pyrazole
derivatives
synthesized
evaluated
their
potential
against
various
cancer
cell
lines.
Structure–activity
relationship
studies
shown
appropriate
substitution
on
different
positions
the
ring
can
significantly
enhance
efficacy
tumor
selectivity.
It
is
noteworthy
many
demonstrated
multiple
mechanisms
action
by
interacting
targets
including
tubulin,
EGFR,
CDK,
BTK,
DNA.
Therefore,
this
review
summarizes
current
understanding
structural
features
structure-activity
relationships
targets,
aiming
to
facilitate
development
pyrazole-based
drugs.
We
focus
latest
research
advances
in
activities
compounds
reported
from
2018
present.
Advanced Synthesis & Catalysis,
Journal Year:
2023,
Volume and Issue:
365(24), P. 4412 - 4439
Published: Nov. 16, 2023
Abstract
Spirooxindoles
are
privileged
scaffolds
in
diverse
bioactive
natural
products
and
pharmaceuticals,
significant
achievements
for
the
construction
of
these
molecules
have
thus
been
made
past
years.
Among
them,
organocatalysis,
particular,
nucleophilic
Lewis
base
catalysis,
has
recently
emerged
as
an
efficient
reliable
method
preparation
valuable
functionalized
spirooxindoles.
According
to
different
kinds
catalysts,
we
summarize
classify
three
catalytic
strategies;
tertiary
amine‐catalyzed
cycloadditions,
NHC‐catalyzed
phosphine‐catalyzed
respectively.
Through
methods,
potential
spirooxindole
skeletons
owning
various
functional
groups
can
be
produced
enrich
small
organic
molecule
library.
In
this
review,
describe
a
comprehensive
updated
advances
cycloaddition
reactions
Meanwhile,
related
mechanism
application
annulation
strategies
product
total
synthesis
will
highlighted
detail.
Chemical Physics Impact,
Journal Year:
2024,
Volume and Issue:
8, P. 100482 - 100482
Published: Jan. 22, 2024
The
published
molecule
(S)-3-Benzyl-5-(phenylselanyl)-6-(p-tolyl)-3,4-dihydropyran-2-one
(3B6PL)
was
selected
for
the
identification
of
anticancer
properties,
and
computational
calculations
were
employed
using
density
function
theory
(DFT)
with
B3LYP/6-311++G
(d,p)
basis
set
to
validate
proposed
molecular
structure
features
by
theoretical
calculations.
Herein,
FT-IR,
UV-800,
1H
NMR,
13C
NMR
analytical
techniques
used
characterization
molecule.
In
characteristic
frequencies
compared
an
appropriate
scaling
factor
(0.961)
potential
energy
distribution
(PED)
simulated
spectra
3B6PL.
Moreover,
UV-800
spectral
data
validated
NBO
that
demonstrated
charge
transfer
in
molecules
exhibits
a
prominent
second-order
perturbation
energy,
E(2)
value
is
309.85
kcal/mol.
HOMO-LUMO,
Molecular
electrostatic
(MEP)
both
find
molecule's
electrical
as
well
its
softness,
hardness,
overall
stability.
To
understand
reactive
locations
molecule,
fukui
functions
have
been
employed.
exceptional
NLO
(non-linear
optical)
characteristics
demonstrated,
intermolecular
interactions
evaluated
Hirshfeld
surface
well.
On
contrary,
druglikeness
under
Lipinski's
rule
five
ADME/T
studies.
In-silico
analysis
docking
also
against
kinase
insert
domain
receptors
VEGFR
showed
binding
affinities
-6.3
kcal/mol
VEGFR-ligand
complex
preliminary
investigation.
Therefore,
this
compound
could
be
in-vitro
in-vivo
analyses
out
cytotoxicity
derivatized
enhance
potent
properties.
Chemical Biology & Drug Design,
Journal Year:
2024,
Volume and Issue:
103(2)
Published: Feb. 1, 2024
Abstract
A
series
of
alkynylated
pyrrole
derivatives
were
meticulously
designed,
drawing
inspiration
from
the
structure
3‐alkynylpyrrole‐2,4‐dicarboxylates,
which
synthesized
via
a
cyclization
process
involving
methylene
isocyanides
and
propiolaldehydes
under
mild
conditions.
These
subsequently
subjected
to
evaluation
for
their
anticancer
properties
against
panel
cell
lines,
including
U251,
A549,
769‐P,
HepG2,
HCT‐116.
According
detailed
analysis
structure–activity
relationship,
compound
12l
emerged
as
most
promising
molecule,
with
IC
50
values
2.29
±
0.18
3.49
0.30
μM
toward
U251
A549
cells,
respectively.
Subsequent
mechanistic
investigations
revealed
that
exerts
its
effects
by
arresting
cycle
in
G0/G1
phase
inducing
apoptosis
specifically
cells.
innovative
hold
potential
serve
valuable
template
discovery
novel
molecules.
